UCSF

ZINC17970759

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2008 30 Yes

Popular Name: methyl methyl

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.89 13.26 -10.5 1 8 0 95 414.437 6 ↓
Hi High (pH 8-9.5) 4.07 13.23 -34.64 0 8 -1 97 413.429 6 ↓
Mid Mid (pH 6-8) 4.07 13.76 -30.73 2 8 1 100 415.445 6 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )